N-cyclooctyl-3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide

C22H27N3OS — CID 4015786

IUPACN-cyclooctyl-3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1cccc(-n2nc(C)c3cc(C(=O)NC4CCCCCCC4)sc32)c1
InChIInChI=1S/C22H27N3OS/c1-15-9-8-12-18(13-15)25-22-19(16(2)24-25)14-20(27-22)21(26)23-17-10-6-4-3-5-7-11-17/h8-9,12-14,17H,3-7,10-11H2,1-2H3,(H,23,26)
InChIKeyAWQCCBXBQJGHOC-UHFFFAOYSA-N
MW381.55 g/mol
LogP5.55
Rot. Bonds3

About N-cyclooctyl-3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide

N-cyclooctyl-3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 4015786) has the molecular formula C22H27N3OS and a molecular weight of 381.55 g/mol. Its IUPAC name is N-cyclooctyl-3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID4015786
Molecular FormulaC22H27N3OS
Molecular Weight381.55 g/mol
Exact Mass381.19
IUPAC NameN-cyclooctyl-3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1cccc(-n2nc(C)c3cc(C(=O)NC4CCCCCCC4)sc32)c1
InChIInChI=1S/C22H27N3OS/c1-15-9-8-12-18(13-15)25-22-19(16(2)24-25)14-20(27-22)21(26)23-17-10-6-4-3-5-7-11-17/h8-9,12-14,17H,3-7,10-11H2,1-2H3,(H,23,26)
InChIKeyAWQCCBXBQJGHOC-UHFFFAOYSA-N
XLogP5.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.55
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamic acid
CID 66819242
1-(4-chlorophenyl)-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 947337
methyl 4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexane-1-carboxylate
CID 66819290
3-methyl-1-phenyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119450686
N-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 48505983
N-(3-methoxyphenyl)-3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 2005840
N-cyclopentyl-3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936611
cis-(1R,3R)-1-methyl-3-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66819487
[methyl-[[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamoyl]amino] acetate
CID 89437726
N-[4-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 66819473
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 2003930
N-(2-methoxyphenyl)-3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 3350386

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-cyclooctyl-3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 4015786) is N-cyclooctyl-3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclooctyl-3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-cyclooctyl-3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1cccc(-n2nc(C)c3cc(C(=O)NC4CCCCCCC4)sc32)c1.
What is the InChIKey of N-cyclooctyl-3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is AWQCCBXBQJGHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3OS/c1-15-9-8-12-18(13-15)25-22-19(16(2)24-25)14-20(27-22)21(26)23-17-10-6-4-3-5-7-11-17/h8-9,12-14,17H,3-7,10-11H2,1-2H3,(H,23,26).
What are the key properties of N-cyclooctyl-3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
N-cyclooctyl-3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 381.55 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 4015786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).